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CHEBI:171829 - PC(22:4(7Z,10Z,13Z,16Z)/P-18:0)

Default Structure
ChEBI IDCHEBI:171829
ChEBI NamePC(22:4(7Z,10Z,13Z,16Z)/P-18:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H88NO7P
Net Charge0
Average Mass822.206
Monoisotopic Mass821.62984
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O/C=C\CCCCCCCCCCCCCCCC
InChIInChI=1S/C48H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)54-45-47(46-56-57(51,52)55-44-42-49(3,4)5)53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,25-26,29,31,40,43,47H,6-13,15,17-19,21,23-24,27-28,30,32-39,41-42,44-46H2,1-5H3/b16-14-,22-20-,26-25-,31-29-,43-40-
InChIKeyHPVYKCPKEVVBSW-DDSLUFNQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
PC(22:4(7Z,10Z,13Z,16Z)/P-18:0) (CHEBI:171829) is a diglyceride (CHEBI:18035)
IUPAC Name 
[3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-2-[(Z)-octadec-1-enoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
24767314ChemSpider
HMDB0008653HMDB